相关论文: Analytic structure of solutions to multiconfigurat…
Self-consistent-field (SCF) approximations formulated using Hartree-Fock (HF) or Kohn-Sham Density Functional Theory (KS-DFT) both have the potential to yield multiple solutions. However, the formal relationship between multiple solutions…
We consider the multicomponent Smoluchowski coagulation equation under non-equilibrium conditions induced either by a source term or via a constant flux constraint. We prove that the corresponding stationary non-equilibrium solutions have a…
Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner-Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the…
A new relativistic Hartree-Fock approach with density-dependent $\sigma$, $\omega$, $\rho$ and $\pi$ meson-nucleon couplings for finite nuclei and nuclear matter is presented. Good description for finite nuclei and nuclear matter is…
This work is focused on the study of the nonlinear elliptic higher order equation \begin{equation}\nonumber \left( -\Delta \right)^m u = S_k[-u] + \lambda f, \qquad x \in \mathbb{R}^N, \end{equation} where the $k-$Hessian $S_k[u]$ is the…
A new ATSP2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non relativistic or relativistic Breit-Pauli approximation. It is first…
A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis…
We benchmark three standard approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure…
The Hartree-Fock states of the many-electron atomic system can be unstable with respect to a static or dynamic shift of the electron shells. An appropriate non-rigid shell model for atomic clusters is developed. It permits to formulate a…
We prove partial regularity of stationary solutions and minimizers $u$ from a set $\Omega\subset \mathbb R^n$ to a Riemannian manifold $N$, for the functional $\int_\Omega F(x,u,|\nabla u|^2) dx$. The integrand $F$ is convex and satisfies…
For any polarized variety (X,L), we show that test configurations and, more generally, R-test configurations (defined as finitely generated filtrations of the section ring) can be analyzed in terms of Fubini-Study functions on the Berkovich…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
This paper is concerned with the well-posedness analysis of the Hartree-Fock system modeling the time evolution of a quantum system comprised of fermions. We consider quantum states with finite mass and finite kinetic energy, and the…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
The multiconfigurational time-dependent Hartree-Fock equations are discussed and solved for a one-dimensional model of the Helium atom. Results for the ground state energy and two-particle density as well as the absorption spectrum are…
Nuclei far from stability are studied by solving the Hartree-Fock-Bogoliubov (HFB) equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on…
The Hartree-Fock equation admits homogeneous states that model infinitely many particles at equilibrium. We prove their asymptotic stability in large dimensions, under assumptions on the linearised operator. Perturbations are moreover…
We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at…
We study both the spin-average and spin-dependent structure functions of the lithium isotopes, $^{6-11}$Li, which could be measured at RIKEN and other nuclear facilities in the future. It is found that the light-cone momentum distribution…
Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…